* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    134    202     385
    1     0 S   NP   _N1_     1    31.75716   100.72768   -23.01114
    2     1 S   H    _HN1     2     1.02746    39.31091   -59.93985
    3     1 S   H    _H1_     3     1.02855    83.44600   171.31162
    4     1 S   H    _H2_     4     1.03522   146.29430   -77.05052
    5     1 S   CT   _CA1     5     1.50416    93.29581    61.14508
    6     5 S   HC   _HA1     6     1.09651   104.14347   147.28648
    7     5 S   CO3  _C1_     7     1.54260   111.57762    31.25658
    8     7 S   O2Z  _O11     8     1.26037   116.75008  -120.96064
    9     7 S   O2Z  _O12     9     1.26659   113.94005    58.66838
   10     5 S   CT   _CB1    10     1.53062   107.01087   -96.93237
   11    10 S   HC   HB11    11     1.09636   109.48624   -40.02378
   12    10 S   HC   HB12    12     1.09786   110.33785    75.51239
   13    10 S   CT   _CG1    13     1.53294   112.71807  -162.51846
   14    13 S   HC   HG11    14     1.09537   111.05438   -98.64986
   15    13 S   HC   HG12    15     1.09471   111.59139    20.71846
   16    13 S   C    _CD1    16     1.51410   109.47317   141.32475
   17    16 S   O    _OE1    17     1.22818   121.80839    87.18282
   18    16 S   N    _N2_    18     1.38520   112.56387   -89.53584
   19    18 S   H    _HN2    19     1.01908   119.23947    -5.95365
   20    18 S   CT1  _CA2    20     1.46006   123.47641   173.51808
   21    20 S   HC   _HA2    21     1.09721   109.07962   -12.25905
   22    20 S   C    _C2_    22     1.53809   108.82480  -127.67583
   23    22 S   O    _O2_    23     1.23091   122.11057  -157.56813
   24    20 S   CT   _CB2    32     1.53352   112.00131   110.01296
   25    24 S   HC   HB21    33     1.09401   110.20541    56.79504
   26    24 S   HC   HB22    34     1.09538   110.22961   174.34743
   27    22 S   N    _N3_    24     1.38392   113.99306    29.72705
   28    27 S   H    _HN3    25     1.01476   119.13753    -4.08993
   29    24 S   S    _SG2    35     1.83123   112.85993   -66.96985
   30    27 S   CT   _CA3    26     1.45280   123.29228   177.84269
   31    30 S   HC   HA31    27     1.09560   107.45090   -63.00169
   32    30 S   HC   HA32    28     1.09559   107.90869    53.27627
   33    29 S   CT   _C13    36     1.83273    99.75448   124.85253
   34    33 S   HC   _H9_    37     1.09372   107.90358    46.78880
   35    33 S   HC   _H10    38     1.09424   106.06809   162.39292
   36    30 S   CO3  _C3_    29     1.52999   114.39712   175.10479
   37    36 S   O2Z  _O31    30     1.26432   116.32406    -7.34257
   38    36 S   O2Z  _O32    31     1.26427   114.45941   172.71719
   39    33 S   CT   _C12    39     1.53229   111.48003   -77.06294
   40    39 S   HC   _H6_    40     1.09111   110.01952    45.02180
   41    39 S   CT   _C11    41     1.52401   115.24465   167.81192
   42    41 S   HC   _H5_    42     1.09184   107.97670  -158.23774
   43    41 S   CT   _C10    43     1.51495   103.57546    87.29531
   44    43 S   HC   _H4_    44     1.09439   112.71266   155.25774
   45    41 S   OS   _O35    65     1.41075   113.27375   -37.99665
   46    43 S   CO   _C9_    45     1.53089   102.48496    31.72379
   47    46 S   HC   _H3_    46     1.09653   111.18308  -136.42258
   48    43 S   OH   _O42    63     1.42725   110.32291   -84.56660
   49    48 S   HO   _H12    64     0.97231   107.46192  -175.67351
   50    45 S   P2   _P1_    66     1.63326   119.27679  -142.16629
   51    50 S   O2Z  _O37    67     1.51246   108.41157   174.98675
   52    50 S   O2Z  _O36    68     1.51393   108.72376   -52.61990
   53    46 S   N*   _N7_    47     1.45321   115.11965   101.73170
   54    39 S   OS   _O34    62     1.44204   109.62990   -73.78576
   55    50 S   OS   _O38    69     1.62803   100.65610    60.94170
   56    53 S   CRAB _C4_    48     1.37627   124.82876   112.38796
   57    56 S   HA   _H7_    49     1.08184   122.29858    -1.25461
   58    55 S   P2   _P2_    70     1.62355   132.91948    48.07237
   59    58 S   O2Z  _O41    71     1.51341   109.41476  -114.24623
   60    58 S   O2Z  _O39    72     1.50990   110.17540    21.15281
   61    56 S   NNA  _N4_    50     1.31888   112.42804   178.49858
   62    58 S   OS   _O40    73     1.63090    98.31403   133.36380
   63    62 S   HO   _H11    74     0.97900   115.81114   -79.29081
   64    61 S   CB   _C5_    51     1.36441   104.05026    -0.01978
   65    53 S   CN   _C8_    52     1.36662   128.64583   -69.13096
   66    65 S   NNC  _N6_    53     1.34941   126.87345     2.07877
   67    66 S   CDX  _C7_    54     1.31038   114.08291   179.16631
   68    67 S   NNB  _N5_    55     1.40589   122.59719     1.11943
   69    68 S   H    _H8_    56     1.01417   117.85255   178.46532
   70    67 S   NND  _N8_    59     1.36622   121.11359  -178.94223
   71    70 S   H    _H13    60     1.01737   120.01680    -0.90633
   72    70 S   H    _H14    61     1.01361   122.10053  -176.14979
   73    64 S   C    _C6_    57     1.44054   128.98933   179.94405
   74    73 S   O    _O33    58     1.22523   123.98645     0.62870
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  12   6  14   7  11   7   8  11   5   3
   1   7   3   2   9   2   5   6   3   4   3   2   6   1   1   7
   6   7   7   6   3   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    54  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    54    45  
   35    39    40    41    54  
   39    40    41    54  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    53    54    48    45    50  
   41    42    43    46    54    45  
   42    43    44    46    47    53    54    48    49    45    50    51    52    55  
   43    44    46    54    48    45    50  
   44    46    47    53    56    65    54    48    49    45    50  
   46    47    53    54    48    49    45  
   50    51    52    55    58    46    48    54  
   47    53    56    57    61    64    65    66    54    48    49  
   53    56    65    54    48  
   49    53    54  
    0  
   51    52    55    58    59    60    62  
   52    55    58  
   55    58  
   56    57    61    64    65    66    67    73    54  
   56    65  
   58    59    60    62    63  
   57    61    64    65    66    73  
   61    64    65  
   59    60    62    63  
   60    62    63  
   62    63  
   64    65    66    68    73    74  
   63  
    0  
   65    66    67    68    69    73    74  
   66    67    68    73    74    70  
   67    68    69    73    70    71    72  
   68    69    73    74    70    71    72  
   69    73    74    70    71    72  
   73    74    70  
   71    72    73  
   72  
    0  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   58   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   62   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   67   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   68   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   69   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   70   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   71   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    54   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   250.000  1.527
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    53   275.000  1.479
   46    54   320.000  1.380
   53    56   440.000  1.371
   53    65   436.000  1.374
   56    57   367.000  1.080
   56    61   529.000  1.304
   61    64   414.000  1.391
   64    65   520.000  1.370
   64    73   447.000  1.419
   65    66   461.000  1.354
   66    67   585.000  1.311
   67    68   427.000  1.381
   67    70   481.000  1.340
   68    69   434.000  1.010
   68    73   418.000  1.388
   73    74   570.000  1.229
   70    71   434.000  1.010
   70    72   434.000  1.010
   48    49   553.000  0.945
   45    50   230.000  1.697
   50    51   525.000  1.480
   50    52   525.000  1.480
   50    55   230.000  1.697
   55    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    62   230.000  1.697
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    54    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    54    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    75.00000  109.43000
   41    43    48    50.00000  109.50000
   41    45    50   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    46    47    45.00000  112.01100
   43    46    53    75.00000  107.44000
   43    46    54    90.00000  108.56700
   43    48    49    55.00000  108.50000
   46    43    44    45.00000  108.72000
   46    53    56    70.00000  128.80000
   46    53    65    70.00000  125.80000
   53    46    47    55.00000  103.44000
   53    56    57    35.00000  123.05000
   53    56    61    70.00000  113.90000
   53    65    64    70.00000  106.20000
   53    65    66    70.00000  126.20000
   56    61    64    70.00000  103.80000
   61    56    57    35.00000  123.05000
   61    64    65    70.00000  110.40000
   61    64    73    70.00000  130.00000
   64    65    66    70.00000  127.70000
   64    73    68    70.00000  111.30000
   64    73    74    80.00000  128.80000
   65    53    56    70.00000  105.40000
   65    66    67    70.00000  112.20000
   66    67    68    70.00000  123.30000
   66    67    70    70.00000  119.30000
   67    68    69    35.00000  118.00000
   67    68    73    70.00000  125.20000
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   68    73    74    80.00000  120.60000
   73    64    65    85.00000  119.20000
   73    68    69    35.00000  116.80000
   70    67    68    70.00000  116.00000
   72    70    71    35.00000  120.00000
   54    39    40    35.00000  109.50000
   54    39    41    50.00000  109.50000
   54    46    47    35.00000  109.50000
   54    46    53   105.00000  106.22000
   48    43    44    35.00000  109.50000
   48    43    46    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51   100.00000  108.23000
   45    50    52   100.00000  108.23000
   45    50    55    45.00000  102.60000
   50    55    58    50.00000  132.62000
   52    50    51   140.00000  119.90000
   55    50    51   100.00000  108.23000
   55    50    52   100.00000  108.23000
   55    58    59   100.00000  108.23000
   55    58    60   100.00000  108.23000
   55    58    62    45.00000  102.60000
   58    62    63    45.00000  108.50000
   60    58    59   140.00000  119.90000
   62    58    59   100.00000  108.23000
   62    58    60   100.00000  108.23000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    54    46   0.06250  1.0 1.0
   33    39    54    46  -0.01100 -1.0 2.0
   33    39    54    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    54   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    54   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   3.97050  1.0 1.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50  -2.65550  1.0 1.0
   39    41    45    50  -0.22350 -1.0 2.0
   39    41    45    50   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    54    46   0.37050  1.0 3.0
   41    39   -54    46   0.06250  1.0 1.0
   41    39   -54    46  -0.01100 -1.0 2.0
   41    39   -54    46   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    53  -0.64600  1.0 1.0
   41    43    46    53   0.58400 -1.0 2.0
   41    43   -46    54   0.62750  1.0 1.0
   41    43   -46    54  -0.30950 -1.0 2.0
   41    43   -46    54   0.27300  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.00000  1.0 1.0
   41    45    50    52   0.00000  1.0 1.0
   41    45    50    55   0.05050  1.0 1.0
   41    45    50    55  -1.30700 -1.0 2.0
   41    45    50    55   0.91550  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.03000  1.0 3.0
   43    41    45    50  -2.65550  1.0 1.0
   43    41    45    50  -0.22350 -1.0 2.0
   43    41    45    50   0.24150  1.0 3.0
   43    46    53    56   1.10250  1.0 1.0
   43    46    53    56   0.01650 -1.0 2.0
   43    46    53    56   0.39100  1.0 3.0
   43    46    53    65   1.10250  1.0 1.0
   43    46    53    65   0.01650 -1.0 2.0
   43    46    53    65   0.39100  1.0 3.0
   43    46   -54    39   0.06250  1.0 1.0
   43    46   -54    39  -0.01100 -1.0 2.0
   43    46   -54    39   0.28050  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53   0.15000  1.0 3.0
   44    43    46    54   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    53    56    57   3.62500 -1.0 2.0
   46    53    56    61   3.62500 -1.0 2.0
   46    53    65    64   0.81400  1.0 1.0
   46    53    65    64   1.55550 -1.0 2.0
   46    53    65    66   3.62500 -1.0 2.0
   47    46    53    56   0.00000  1.0 1.0
   47    46    53    65   0.00000  1.0 1.0
   47    46    54    39   0.37050  1.0 3.0
   53    46    54    39  -2.37750  1.0 1.0
   53    46    54    39  -0.08150 -1.0 2.0
   53    46    54    39   0.59000  1.0 3.0
   53    56   -61    64   3.62500 -1.0 2.0
   53    65    66    67   1.25000 -1.0 2.0
   56    53   -65    64   0.70250  1.0 1.0
   56    53   -65    64   1.56150 -1.0 2.0
   56    53    65    66   3.62500 -1.0 2.0
   56    61   -64    65   3.62500 -1.0 2.0
   56    61    64    73   3.62500 -1.0 2.0
   57    56    61    64   3.62500 -1.0 2.0
   61    64   -65    53   3.62500 -1.0 2.0
   61    64    65    66   3.62500 -1.0 2.0
   61    64    73    68   5.37500 -1.0 2.0
   61    64    73    74   0.41000 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   65    53    56    57   3.62500 -1.0 2.0
   65    53   -56    61   3.62500 -1.0 2.0
   65    64    73    68   1.50000 -1.0 2.0
   65    64    73    74   1.05000 -1.0 2.0
   65    66   -67    68   3.62500 -1.0 2.0
   65    66    67    70   3.62500 -1.0 2.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    68    73   3.62500 -1.0 2.0
   66    67    70    71   0.70000 -1.0 2.0
   66    67    70    72   0.70000 -1.0 2.0
   67    68   -73    64   1.52500 -1.0 2.0
   67    68    73    74   3.04450 -1.0 2.0
   68    67    70    71   1.01500 -1.0 2.0
   68    67    70    72   1.01500 -1.0 2.0
   69    68    73    64   1.52500 -1.0 2.0
   69    68    73    74   2.45000 -1.0 2.0
   73    64    65    53   3.62500 -1.0 2.0
   73    64   -65    66   3.62500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    67    68    73   3.62500 -1.0 2.0
   54    39    41    42   0.23400  1.0 3.0
   54    39   -41    43   0.62750  1.0 1.0
   54    39   -41    43  -0.30950 -1.0 2.0
   54    39   -41    43   0.27300  1.0 3.0
   54    39    41    45   1.11900  1.0 1.0
   54    39    41    45  -1.16350 -1.0 2.0
   54    39    41    45  -0.34150  1.0 3.0
   54    46    53    56   0.10350  1.0 1.0
   54    46    53    56  -0.15350 -1.0 2.0
   54    46    53    65   0.10350  1.0 1.0
   54    46    53    65  -0.15350 -1.0 2.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   2.76900  1.0 1.0
   48    43    46    53  -0.24350 -1.0 2.0
   48    43    46    53  -0.78250  1.0 3.0
   48    43    46    54   3.69350  1.0 1.0
   48    43    46    54  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
   45    50    55    58   0.15000  1.0 3.0
   50    55    58    59   0.50000  1.0 3.0
   50    55    58    60   0.50000  1.0 3.0
   50    55    58    62   0.15000  1.0 3.0
   51    50    55    58   0.50000  1.0 3.0
   52    50    55    58   0.50000  1.0 3.0
   55    58    62    63   0.00000  1.0 1.0
   59    58    62    63   0.00000  1.0 1.0
   60    58    62    63   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   56    65    53    46   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   65    73    64    61   4.00000 -1.0 2.0
   64    66    65    53   4.00000 -1.0 2.0
   68    70    67    66  10.50000 -1.0 2.0
   69    67    68    73   1.00000 -1.0 2.0
   64    68    73    74  10.50000 -1.0 2.0
   72    67    70    71   1.00000 -1.0 2.0
END
